N-Benzoyl-2'-Deoxyadenosine 5'-(Dihydrogen Phosphate)

Molecule SVG Image

Properties Simple | Detailed

Formula C17H18N5O7P
IUPAC Name [(2r,3s,5r)-5-(6-benzamidopurine-1,3,7-triium-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 435.328 g·mol−1
Heat of Formation -1168.0 ± 16.7 kJ·mol−1
Dipole Moment 4.69 ± 1.08 D
Volume 456.85 Å 3
Surface Area 404.58 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy -1.00 ± eV
Point Group Symmetry C1
Synonyms
  • 5'-adenylic acid, n-benzoyl-2'-deoxy-, homopolymer
  • [(2r,3s,5r)-3-hydroxy-5-[6-(phenylcarbonylamino)purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,5r)-3-hydroxy-5-[6-[(oxo-phenylmethyl)amino]-9-purinyl]-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3s,5r)-5-[6-(benzoylamino)purin-9-yl]-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,5r)-5-[6-(benzoylamino)purin-9-yl]-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
  • poly(n(6)-benzoyldeoxyadenylate)
CAS Number(s)
  • 59033-76-0
InChIKey OFYLTHUCHOJBNS-YNEHKIRRSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements P C H O N